1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone

C15H22N2O — CID 65389490

IUPAC1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C15H22N2O/c1-10-13(11(2)18)9-16-14(17-10)12-5-7-15(3,4)8-6-12/h9,12H,5-8H2,1-4H3
InChIKeyRZXSZGFNWVTBGM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.67
Rot. Bonds2

About 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone

1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone (PubChem CID 65389490) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone
PubChem CID65389490
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CCC(C)(C)CC2)nc1C
InChIInChI=1S/C15H22N2O/c1-10-13(11(2)18)9-16-14(17-10)12-5-7-15(3,4)8-6-12/h9,12H,5-8H2,1-4H3
InChIKeyRZXSZGFNWVTBGM-UHFFFAOYSA-N
XLogP3.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone (CID 65389490) is 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(C2CCC(C)(C)CC2)nc1C.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is RZXSZGFNWVTBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-13(11(2)18)9-16-14(17-10)12-5-7-15(3,4)8-6-12/h9,12H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone?
1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 65389490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).